UCSF

ZINC59860715

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 8.37 -41.14 2 2 1 26 246.374 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0334538A1; EP0334538B1; EP0407416A1; US5214156 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )